CID 483270

5-methyl-3-(5-methyl-4-nitroso-2-phenyl-2h-pyrazol-3-yl)-isoxazole

Structural Information

Molecular Formula
C14H12N4O2
SMILES
CC1=CC(=NO1)C2=C(C(=NN2C3=CC=CC=C3)C)N=O
InChI
InChI=1S/C14H12N4O2/c1-9-8-12(17-20-9)14-13(16-19)10(2)15-18(14)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey
FLOYSSRIUNGCOW-UHFFFAOYSA-N
Compound name
5-methyl-3-(5-methyl-4-nitroso-2-phenylpyrazol-3-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.09604 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10332 157.5
[M+Na]+ 291.08526 169.7
[M-H]- 267.08876 167.5
[M+NH4]+ 286.12986 172.9
[M+K]+ 307.05920 167.2
[M+H-H2O]+ 251.09330 148.3
[M+HCOO]- 313.09424 184.4
[M+CH3COO]- 327.10989 171.9
[M+Na-2H]- 289.07071 161.8
[M]+ 268.09549 164.1
[M]- 268.09659 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.